methyl 5-aminocarbonyl-4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-1-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]carbonylamino]-1-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: methyl 1-benzyl-5-carbamoyl-4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-benzoyl]amino]pyrazole-3-carboxylate CAS Name: 5-carbamoyl-4-[[[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-1-(phenylmethyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-carbamoyl-4-[[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]pyrazole-3-carboxylate Traditional Name: 1-benzyl-5-carbamoyl-4-[[2-ethoxy-5-(4-methylpiperazino)sulfonyl-benzoyl]amino]pyrazole-3-carboxylic acid methyl ester Formula: C27H32N6O7S MolecularWeight: 584.64398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)NC3=C(N(N=C3C(=O)OC)CC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)NC3=C(N(N=C3C(=O)OC)CC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C27H32N6O7S/c1-4-40-21-11-10-19(41(37,38)32-14-12-31(2)13-15-32)16-20(21)26(35)29-22-23(27(36)39-3)30-33(24(22)25(28)34)17-18-8-6-5-7-9-18/h5-11,16H,4,12-15,17H2,1-3H3,(H2,28,34)(H,29,35)